(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol

C13H18FNO — CID 138473214

IUPAC(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
SMILESCC1(NC[C@H](O)c2cccc(F)c2)CCC1
InChIInChI=1S/C13H18FNO/c1-13(6-3-7-13)15-9-12(16)10-4-2-5-11(14)8-10/h2,4-5,8,12,15-16H,3,6-7,9H2,1H3/t12-/m0/s1
InChIKeyGNWOVOMEAKLQLV-LBPRGKRZSA-N
MW223.29 g/mol
LogP2.39
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol

(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol (PubChem CID 138473214) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
PubChem CID138473214
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
SMILESCC1(NC[C@H](O)c2cccc(F)c2)CCC1
InChIInChI=1S/C13H18FNO/c1-13(6-3-7-13)15-9-12(16)10-4-2-5-11(14)8-10/h2,4-5,8,12,15-16H,3,6-7,9H2,1H3/t12-/m0/s1
InChIKeyGNWOVOMEAKLQLV-LBPRGKRZSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448
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1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043
4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65118485
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol?
The IUPAC name of (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol (CID 138473214) is (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol is CC1(NC[C@H](O)c2cccc(F)c2)CCC1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol?
The InChIKey is GNWOVOMEAKLQLV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(6-3-7-13)15-9-12(16)10-4-2-5-11(14)8-10/h2,4-5,8,12,15-16H,3,6-7,9H2,1H3/t12-/m0/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol?
(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol is sourced from PubChem (CID 138473214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).